4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one

C19H19N3O4 — CID 97280605

IUPAC4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1cccc([C@H]2CCN2C(=O)CN2C(=O)COc3cccnc32)c1
InChIInChI=1S/C19H19N3O4/c1-25-14-5-2-4-13(10-14)15-7-9-21(15)17(23)11-22-18(24)12-26-16-6-3-8-20-19(16)22/h2-6,8,10,15H,7,9,11-12H2,1H3/t15-/m1/s1
InChIKeyAMPVBDJHXFQSQI-OAHLLOKOSA-N
MW353.38 g/mol
LogP1.79
Rot. Bonds4

About 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 97280605) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID97280605
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1cccc([C@H]2CCN2C(=O)CN2C(=O)COc3cccnc32)c1
InChIInChI=1S/C19H19N3O4/c1-25-14-5-2-4-13(10-14)15-7-9-21(15)17(23)11-22-18(24)12-26-16-6-3-8-20-19(16)22/h2-6,8,10,15H,7,9,11-12H2,1H3/t15-/m1/s1
InChIKeyAMPVBDJHXFQSQI-OAHLLOKOSA-N
XLogP1.79
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97282486
1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 74247323
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
3-methoxy-1-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97269461
2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one
CID 97285089
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97284050
2-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 97152481
2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide
CID 72855696
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 154794501
3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one
CID 137334837
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 97280605) is 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is COc1cccc([C@H]2CCN2C(=O)CN2C(=O)COc3cccnc32)c1.
What is the InChIKey of 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is AMPVBDJHXFQSQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-14-5-2-4-13(10-14)15-7-9-21(15)17(23)11-22-18(24)12-26-16-6-3-8-20-19(16)22/h2-6,8,10,15H,7,9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 353.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 97280605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).